SCHEMBL7597708

SCHEMBL7597708

CC(C)COc1ccc(-c2sc3c(c2CNS(C)(=O)=O)c(=O)n(CC(=O)O)c(=O)n3Cc2c(F)cccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 19/20 0.46
KCNH2 Q12809 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7597332 0.92 GNRHR (0.42) GNRHRKCNH2
SCHEMBL7591971 0.91 GNRHR (0.54) GNRHRKCNH2
SCHEMBL8649469 0.87 GNRHR (0.48) GNRHRKCNH2
SCHEMBL7597437 0.83 GNRHR (0.50) GNRHRKCNH2
SCHEMBL7593507 0.83 GNRHR (0.37) GNRHRKCNH2
SCHEMBL7593502 0.81 GNRHR (0.45) GNRHRKCNH2
SCHEMBL7598730 0.80 GNRHR (0.45) GNRHRKCNH2
SCHEMBL7597198 0.75 NPSR1 (0.37) GNRHRKCNH2
SCHEMBL6704311 0.74 GNRHR (0.36) GNRHRKCNH2
SCHEMBL7594784 0.74 GNRHR (0.35) GNRHRKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846119-B1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE AS ENDOTHELIN ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6140325-A HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-31 US disclosed